JTE 7-31

JTE 7-31
Names
	Preferred IUPAC name 2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)-2,3-dihydro-1H-isoindol-1-one
Identifiers
CAS Number	194358-72-0 ;
3D model (JSmol)	Interactive image;
ChemSpider	13767708 ;
PubChem CID	19363402;
UNII	7MV5OX2NX0 ;
CompTox Dashboard (EPA)	DTXSID50598386 ;
	InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3 Key: FMUMUYFMLZGXJR-UHFFFAOYSA-N ; InChI=1/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3 Key: FMUMUYFMLZGXJR-UHFFFAOYAA;
	SMILES Oc1ccc(cc1)CCN3Cc2c(ccc(OC)c2NCCCCC)C3=O;
Properties
Chemical formula	C22H28N2O3
Molar mass	368.469 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

JTE 7-31 is a selective cannabinoid receptor agonist invented by Japan Tobacco.^[1]^[2] It is a reasonably highly selective CB₂ agonist, but still retains appreciable affinity at CB₁, with a K_i of 0.088nM at CB₂ vs 11nM at CB₁.^[3]

Legality

JTE 7-31 is illegal in Alabama.^[4]

References

^ WO patent 1997/029079, Inaba T, Kaya T, Iwamura H, "Novel compounds and pharmaceutical use thereof", granted 1997-14-08
^ US patent 6017919, Inaba T, Kaya T, Iwamura H, "Compounds and pharmaceutical use thereof", granted 2000-01-25
^ Han S, Zhang FF, Qian HY, Chen LL, Pu JB, Xie X, Chen JZ (March 2015). "Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor". European Journal of Medicinal Chemistry. 93: 16–32. doi:10.1016/j.ejmech.2015.01.054. PMID 25644673.
^ "Alabama Senate Bill SB 333: Controlled Substances" (PDF).

External links

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[WO_1997/029079-1] WO patent 1997/029079, Inaba T, Kaya T, Iwamura H, "Novel compounds and pharmaceutical use thereof", granted 1997-14-08

[US_6017919-2] US patent 6017919, Inaba T, Kaya T, Iwamura H, "Compounds and pharmaceutical use thereof", granted 2000-01-25

[pmid25644673-3] Han S, Zhang FF, Qian HY, Chen LL, Pu JB, Xie X, Chen JZ (March 2015). "Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor". European Journal of Medicinal Chemistry. 93: 16–32. doi:10.1016/j.ejmech.2015.01.054. PMID 25644673.

[4] "Alabama Senate Bill SB 333: Controlled Substances" (PDF).

[1]

[2]

[3]

[4]

Names

Preferred IUPAC name 2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)-2,3-dihydro-1H-isoindol-1-one
Identifiers
CAS Number	194358-72-0^Y
3D model (JSmol)	Interactive image
ChemSpider	13767708^Y
PubChem CID	19363402
UNII	7MV5OX2NX0^Y
CompTox Dashboard (EPA)	DTXSID50598386
InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3^Y Key: FMUMUYFMLZGXJR-UHFFFAOYSA-N^Y InChI=1/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3 Key: FMUMUYFMLZGXJR-UHFFFAOYAA
SMILES Oc1ccc(cc1)CCN3Cc2c(ccc(OC)c2NCCCCC)C3=O
Properties
Chemical formula	C₂₂H₂₈N₂O₃
Molar mass	368.469 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

JTE 7-31

Legality

See also

References

External links

€4.95